D306-1229 Screening compound: butyl 3-[(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)amino]benzoate

D306-1229 Screening compound: butyl 3-[(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)amino]benzoate
D306-1229 Screening compound: butyl 3-[(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D306-1229
butyl 3-[(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)amino]benzoate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

D306-1229

Molecular Formula

C21H21N3O3 (C21 H21 N3 O3)

Compound Name

butyl 3-[(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)amino]benzoate

IUPAC name

butyl 3-[(6-oxo-4-phenyl-16-dihydropyrimidin-2-yl)amino]benzoate

SMILES

CCCCOC(c1cccc(NC(N2)=NC(c3ccccc3)=CC2=O)c1)=O

InChI

InChI=1S/C21H21N3O3/c1-2-3-12-27-20(26)16-10-7-11-17(13-16)22-21-23-18(14-19(25)24-21)15-8-5-4-6-9-15/h4-11,13-14H,2-3,12H2,1H3,(H2,22,23,24,25)

InChI Key

FLPWMLNIBOPZHP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09057054

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.769

Distribution Coefficient, logD

4.748

Water Solubility, LogSw

-4.57

Polar Surface Area

65.634

Acid Dissociation Constant (pKa)

8.71

Base Dissociation Constant (pKb)

1.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

D306-1229 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D306-1229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D306-1229?
Check Price and Availability of D306-1229, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D306-1229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D306-1229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D306-1229
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of D306-1229 available by request